5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole

C11H12N2O3 — CID 66898582

IUPAC5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole
SMILESCOc1n[nH]c2ccc(C3OCCO3)cc12
InChIInChI=1S/C11H12N2O3/c1-14-10-8-6-7(11-15-4-5-16-11)2-3-9(8)12-13-10/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKeyGGARTESUFOVJDF-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.62
Rot. Bonds2

About 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole

5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole (PubChem CID 66898582) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole
PubChem CID66898582
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole
SMILESCOc1n[nH]c2ccc(C3OCCO3)cc12
InChIInChI=1S/C11H12N2O3/c1-14-10-8-6-7(11-15-4-5-16-11)2-3-9(8)12-13-10/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKeyGGARTESUFOVJDF-UHFFFAOYSA-N
XLogP1.62
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole (CID 66898582) is 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole is COc1n[nH]c2ccc(C3OCCO3)cc12.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole?
The InChIKey is GGARTESUFOVJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-14-10-8-6-7(11-15-4-5-16-11)2-3-9(8)12-13-10/h2-3,6,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole?
5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole has a molecular weight of 220.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-3-methoxy-1H-indazole is sourced from PubChem (CID 66898582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).